Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6822484 | 0.84 | ALDH1A1 (0.36) | POLB | |
| SCHEMBL16626822 | 0.78 | CA1 (0.48) | CA1CA2SMN1; SMN2CA14ZDHHC7 | |
| SCHEMBL14601911 | 0.78 | CA1 (0.48) | CA1CA2SMN1; SMN2CA14ZDHHC7 | |
| SCHEMBL1931058 | 0.77 | TDP1 (0.36) | CA2 | |
| SCHEMBL15443385 | 0.77 | CA1 (0.41) | CA1CA2SMN1; SMN2NOS3NOS1 | |
| SCHEMBL499816 | 0.77 | TDP1 (0.36) | CA2 | |
| SCHEMBL7433060 | 0.76 | SMN1; SMN2 (0.46) | CA1CA2SMN1; SMN2CA14ZDHHC7 | |
| SCHEMBL13443753 | 0.76 | SMN1; SMN2 (0.46) | CA1CA2SMN1; SMN2CA14ZDHHC7 | |
| SCHEMBL13443752 | 0.76 | SMN1; SMN2 (0.46) | CA1CA2SMN1; SMN2CA14ZDHHC7 | |
| SCHEMBL6818897 | 0.74 | SMN1; SMN2 (0.39) | CA1CA2SMN1; SMN2ACHECA14 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004020399-A1 | MALONONITRILE COMPOUND AND USE THEREOF AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-03-11 | — | — | WO | disclosed |